Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of A. T. Blumenau

Journal Article (10)

1.
Journal Article
Torres, E.; Blumenau, A. T.; Biedermann, P. U.: Steric and Chain Length Effects in the (√(3) x √(3))R30°Structures of Alkanethiol Self-Assembled Monolayers on Au(111). ChemPhysChem 12, pp. 999 - 1009 (2011)
2.
Journal Article
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: The Role of Gold Adatoms in Self-Assembled Monolayers of Thiol on Au(111). Sp. Iss. SI, pp. 3466 - 3472 (2009)
3.
Journal Article
Torres, E.; Blumenau, A. T.; Biedermann, P. U.: Mechanism for phase transitions and vacancy island formation in alkylthiol/Au(111)self-assembled monolayers based on adatom and vacancy-induced reconstructions. Physical Review B 79 (7), pp. 075440-1 - 075440-6 (2009)
4.
Journal Article
Fujita, N.; Jones, R.; Öberg, S.; Briddon, P. R.; Blumenau, A. T.: A Theoretical Study of Copper Contaminated Dislocations in Silicon. Solid State Phenomena 131-133, pp. 259 - 264 (2008)
5.
Journal Article
Fujita, N.; Blumenau, A. T.; Jones, R.; Öberg, S.; Briddon, P. R.: Core reconstructions of the <100> edge dislocation in single crystal CVD diamond. Physica Status Solidi A 204 (7), pp. 2211 - 2215 (2007)
6.
Journal Article
Eberlein, T. A. G.; Jones, R.; Blumenau, A. T.; Öberg, S.; Briddon, P. R.: Effect of charge on the movement of dislocations in SiC. Applied Physics Letters 88 (8), 082113, p. 082113 - 082113 (2006)
7.
Journal Article
Fujita, N.; Blumenau, A. T.; Jones, R.; Öberg, S.; Briddon, P. R.: Theoretical studies on <100> dislocations in single crystal CVD diamond. Physica Status Solidi (A) 203 (12), pp. 3070 - 3075 (2006)
8.
Journal Article
Knaup, J. M.; Köhler, C.; Frauenheim, T.; Blumenau, A. T.; Amkreutz, M.; Schiffels, P.; Schneider, B.; Hennemann, O.-D.: Computational Studies on Polymer Adhesion at the Surface of γ-Al2O3: I. The Adsorption of Adhesive Component Molecules from the Gas Phase. Journal of Physical Chemistry B 110, pp. 20460 - 20468 (2006)
9.
Journal Article
Blumenau, A. T.; Eberlein, T. A. G.; Jones, R.; Öberg, S.; Frauenheim, T.; Briddon, P. R.: The effect of charge on kink migration at 90 degrees partial dislocations in SiC. Physica Status Solidi (A) 202 (5), pp. 877 - 882 (2005)
10.
Journal Article
Hounsome, L. S.; Jones, R.; Martineau, P. M.; Shaw, M. J.; Briddon, P.R.; Öberg, S.; Blumenau, A. T.; Fujita, N.: Optical properties of vacancy related defects in diamond. Physica Status Solidi (A) 202 (11), pp. 2182 - 2187 (2005)

Book Chapter (1)

11.
Book Chapter
Schiffels, P.; Amkreutz, M.; Blumenau, A. T.; Krüger, T.; Schneider, B.; Frauenheim, T.; Hennemann, O.-D.: Modeling Fundamental Aspects of the Surface Chemistry of Oxides and their Interactions with Coupling Agents. In: Adhesion: Current Research and Applications, pp. 17 - 32 (Ed. Possart, W.). Wiley – VCH, Weinheim (2005)

Conference Paper (2)

12.
Conference Paper
Eberlein, T.A.G.; Jones, R.; Blumenau, A. T.: Theory of Dislocations in SiC: The Effect of Charge on Kink Migration. International Conference on Silicon Carbide and Related Materials, Pittsburgh, PA, USA, September 18, 2005 - September 23, 2005. Materials Science Forum 321, pp. 527 - 529 (2006)
13.
Conference Paper
Savini, G.; Heggie, M. I.; Ewels, C. P.; Martsinovich, N.; Jones, R.; Blumenau, A. T.: Structure and energy of the 90 degrees partial dislocations in Wurtzite-GaN. Materials Science Forum 483, pp. 1057 - 1060 (2005)

Talk (24)

14.
Talk
Hamou, R. F.; Biedermann, P. U.; Rohwerder, M.; Blumenau, A. T.: FEM Simulation of the Scanning Electrochemical Potential Microscopy (SECPM). Comsol European Conference 2008, Hannover, Germany (2008)
15.
Talk
Özcan, Ö.; Grundmeier, G.; Blumenau, A. T.: Linking Stability Studies to the Preferential Growth of ZnO. TACC2008, Shanghai, China (2008)
16.
Talk
Özcan, Ö.; Blumenau, A. T.; Grundmeier, G.: A combined experimental-computational approach: Revealing the organosilane to zinc oxide binding mechanism. Euradh 2008 - Adhesion '08, St Catherine's College, Oxford, UK (2008)
17.
Talk
Hamou, R. F.; Biedermann, P. U.; Blumenau, A. T.: FEM Simulation of the Scanning Electrochemical Potential Microscopy (SECPM). SurMat Seminar, Schloß Gnadenthal, Kleve, Germany (2008)
18.
Talk
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: High density structures of ethyl-thiol SAM´s on Au(111): A DFT study. SurMat Seminar, Schloß Gnadenthal, Kleve, Germany (2008)
19.
Talk
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: The Role of Gold Adatoms in Self-Assembled Monolayers of Thiol on Au(111). 6th Congress of the International Society for Theoretical Chemical Physics, ISTCP-VI, University of British Columbia, Vancouver, Canada (2008)
20.
Talk
Özcan, Ö.; Blumenau, A. T.; Grundmeier, G.: Adsorption of Organosilanes on ZnO Surfaces. 2nd IMPRS-SurMat Workshop in Surface and Interface Engineering in Advanced Materials, Ruhr-Universität Bochum, Germany (2008)
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